2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid

C9H16N2O3 — CID 79389026

IUPAC2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCC1NCCC1C(=O)N(C)CC(=O)O
InChIInChI=1S/C9H16N2O3/c1-6-7(3-4-10-6)9(14)11(2)5-8(12)13/h6-7,10H,3-5H2,1-2H3,(H,12,13)
InChIKeyWAIPKFUPKXBSSK-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.47
Rot. Bonds3

About 2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid

2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid (PubChem CID 79389026) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
PubChem CID79389026
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCC1NCCC1C(=O)N(C)CC(=O)O
InChIInChI=1S/C9H16N2O3/c1-6-7(3-4-10-6)9(14)11(2)5-8(12)13/h6-7,10H,3-5H2,1-2H3,(H,12,13)
InChIKeyWAIPKFUPKXBSSK-UHFFFAOYSA-N
XLogP-0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 79389017
N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79389093
N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylpyrrolidine-3-carboxamide
CID 79384629
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
N-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79389256
(2R,3R)-N-ethyl-N,2-dimethylpiperidine-3-carboxamide;hydrochloride
CID 130610203
N,2-dimethyl-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388240
N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79384307
N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388890
N-cyclopropyl-N-(2-methoxyethyl)-2-methylpyrrolidine-3-carboxamide
CID 79389096
N-cyclohexyl-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide
CID 79388366
N-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388536

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid (CID 79389026) is 2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid is CC1NCCC1C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The InChIKey is WAIPKFUPKXBSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6-7(3-4-10-6)9(14)11(2)5-8(12)13/h6-7,10H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid?
2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid has a molecular weight of 200.24 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 79389026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).